SCHEMBL19281150

SCHEMBL19281150

[2H]C([2H])([2H])OCC1CC2(CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)Oc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19289249 0.95 ACACB (0.42) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12480972 0.95 ACACB (0.42) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12695055 0.91 ACACB (0.41) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL19281152 0.91 ACACB (0.39) ACACBKMT2AKDM4EALDH1A1POLB
SCHEMBL12481990 0.90 HPGD (0.41) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12480939 0.90 ACACB (0.42) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12480927 0.89 ACACB (0.40) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12481974 0.89 ACACB (0.41) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12695070 0.88 ACACB (0.40) ACACBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12482012 0.88 ACACB (0.40) ACACBMEN1KMT2AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed